3,5-dinaphthalen-1-yl-1,4,2-dioxazole

C22H15NO2 — CID 158958415

IUPAC3,5-dinaphthalen-1-yl-1,4,2-dioxazole
SMILESc1ccc2c(C3=NOC(c4cccc5ccccc45)O3)cccc2c1
InChIInChI=1S/C22H15NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(24-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,22H
InChIKeyJMHPXKUKXHIZNB-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.40
Rot. Bonds2

About 3,5-dinaphthalen-1-yl-1,4,2-dioxazole

3,5-dinaphthalen-1-yl-1,4,2-dioxazole (PubChem CID 158958415) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3,5-dinaphthalen-1-yl-1,4,2-dioxazole.

Molecular Properties

Compound Name3,5-dinaphthalen-1-yl-1,4,2-dioxazole
PubChem CID158958415
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name3,5-dinaphthalen-1-yl-1,4,2-dioxazole
SMILESc1ccc2c(C3=NOC(c4cccc5ccccc45)O3)cccc2c1
InChIInChI=1S/C22H15NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(24-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,22H
InChIKeyJMHPXKUKXHIZNB-UHFFFAOYSA-N
XLogP5.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
5-naphthalen-1-yl-1,3-oxazolidin-2-one
CID 13152451
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769

Frequently Asked Questions

What is the IUPAC name of 3,5-dinaphthalen-1-yl-1,4,2-dioxazole?
The IUPAC name of 3,5-dinaphthalen-1-yl-1,4,2-dioxazole (CID 158958415) is 3,5-dinaphthalen-1-yl-1,4,2-dioxazole.
What is the SMILES notation for 3,5-dinaphthalen-1-yl-1,4,2-dioxazole?
The canonical SMILES for 3,5-dinaphthalen-1-yl-1,4,2-dioxazole is c1ccc2c(C3=NOC(c4cccc5ccccc45)O3)cccc2c1.
What is the InChIKey of 3,5-dinaphthalen-1-yl-1,4,2-dioxazole?
The InChIKey is JMHPXKUKXHIZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-25-22(24-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,22H.
What are the key properties of 3,5-dinaphthalen-1-yl-1,4,2-dioxazole?
3,5-dinaphthalen-1-yl-1,4,2-dioxazole has a molecular weight of 325.37 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinaphthalen-1-yl-1,4,2-dioxazole is sourced from PubChem (CID 158958415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).